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Compound InformationSONAR Target prediction
Name:

DESOXYCORTICOSTERONE ACETATE

Unique Identifier:SPE00300029
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:340.244 g/mol
X log p:1.899  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
Source:adrenocortex
Therapeutics:mineralocorticoid

Found: 34 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [34]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.4658±0.0293449
Normalized OD Score: sc h 0.7148±0.0283327
Z-Score: -5.9883±0.0867349
p-Value: 0.00000000226922
Z-Factor: 0.416488
Fitness Defect: 19.9038
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.03875000000000001±0.00246
Plate DMSO Control (-):0.6314±0.01665
Plate Z-Factor:0.9302
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DBLink | Rows returned: 50<< Back 1 2 3 4 5 6 7 8 9 Next >> 
7061192 [(6S,8R,9R,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
7061193 [(6S,8R,9R,10R,13S,14R,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
7067794 [(6S,8S,9R,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
7067795 [(6S,8S,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
7087046 [(8S,9R,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate
7087049 [(8S,9R,10R,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate

internal high similarity DBLink | Rows returned: 2
SPE01500343 0.9710
SPE01500379 1.0000

active | Cluster 2094 | Additional Members: 20 | Rows returned: 6
SPE00300034 0.375
SPE00307023 0.348484848484849
SPE01500508 0
LAT002C06 0
LAT005F10 0
LOPAC 01120 0

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